2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone

C18H20BrNO — CID 63567910

IUPAC2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN(C)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO/c1-3-14-7-9-16(10-8-14)18(21)13-20(2)12-15-5-4-6-17(19)11-15/h4-11H,3,12-13H2,1-2H3
InChIKeyARHVPNAMTWHGSP-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.33
Rot. Bonds6

About 2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone

2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone (PubChem CID 63567910) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
PubChem CID63567910
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN(C)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO/c1-3-14-7-9-16(10-8-14)18(21)13-20(2)12-15-5-4-6-17(19)11-15/h4-11H,3,12-13H2,1-2H3
InChIKeyARHVPNAMTWHGSP-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174
2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
CID 63567379
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
1-(4-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650420
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63699353

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone (CID 63567910) is 2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)CN(C)Cc2cccc(Br)c2)cc1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone?
The InChIKey is ARHVPNAMTWHGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-3-14-7-9-16(10-8-14)18(21)13-20(2)12-15-5-4-6-17(19)11-15/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone?
2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone has a molecular weight of 346.27 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 63567910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).